Direct Incorporation of Dinitrogen into an Aliphatic C–H Bond

• DOI: 10.1021/jacs.2c13086
• Publication Date: 2023-02-23T16:09:19Z
• Authors: Si-Jun Xie; Rong-Kai Wu; Yi-Fei Huang; Hao-Lin Chen; Shuo-Qing Zhang; Feng Liu; Dan-Dan Zhai; Xin Hong; Zhang-Jie Shi
• Keywords: 01 natural sciences; 0104 chemical sciences

The activation of dinitrogen (N2) and direct incorporation its N atom into C-H bonds to create aliphatic C-N compounds remains unresolved. Incompatible conditions between reduction functionalization make this process extremely challenging. Herein, we report the first example insertion an Csp3-H bond on ligand scaffold a 1,3-propane-bridged [N2N]2--type dititanium complex. Mechanistic investigations behaviors dinuclear mononuclear Ti complexes indicated intramolecular synergistic effect two centers at bond-forming step. Computational studies revealed critical isomerization inactive side-on N2 complex active nitridyl complex, which is responsible for amination. This strategy maps efficient route toward future synthesis amines directly from N2.